################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18336 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 18336 1 5 '2D DQF-COSY' . . . 18336 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 12.672 0.000 . 1 . . . A 1 G H1 . 18336 1 2 . 1 1 1 1 G H1' H 1 5.876 0.000 . 1 . . . A 1 G H1' . 18336 1 3 . 1 1 1 1 G H2' H 1 4.910 0.000 . 1 . . . A 1 G H2' . 18336 1 4 . 1 1 1 1 G H3' H 1 4.850 0.000 . 1 . . . A 1 G H3' . 18336 1 5 . 1 1 1 1 G H4' H 1 4.550 0.000 . 1 . . . A 1 G H4' . 18336 1 6 . 1 1 1 1 G H5' H 1 4.540 0.000 . 1 . . . A 1 G H5' . 18336 1 7 . 1 1 1 1 G H8 H 1 8.233 0.000 . 1 . . . A 1 G H8 . 18336 1 8 . 1 1 1 1 G C8 C 13 139.643 0.000 . 1 . . . A 1 G C8 . 18336 1 9 . 1 1 2 2 G H1 H 1 12.510 0.000 . 1 . . . A 2 G H1 . 18336 1 10 . 1 1 2 2 G H1' H 1 5.850 0.000 . 1 . . . A 2 G H1' . 18336 1 11 . 1 1 2 2 G H2' H 1 4.650 0.000 . 1 . . . A 2 G H2' . 18336 1 12 . 1 1 2 2 G H3' H 1 4.710 0.000 . 1 . . . A 2 G H3' . 18336 1 13 . 1 1 2 2 G H4' H 1 4.400 0.000 . 1 . . . A 2 G H4' . 18336 1 14 . 1 1 2 2 G H5' H 1 4.200 0.000 . 1 . . . A 2 G H5' . 18336 1 15 . 1 1 2 2 G H8 H 1 7.650 0.000 . 1 . . . A 2 G H8 . 18336 1 16 . 1 1 2 2 G H22 H 1 6.670 0.000 . 1 . . . A 2 G H22 . 18336 1 17 . 1 1 2 2 G C1' C 13 92.819 0.000 . 1 . . . A 2 G C1' . 18336 1 18 . 1 1 2 2 G C8 C 13 136.791 0.000 . 1 . . . A 2 G C8 . 18336 1 19 . 1 1 3 3 A H1' H 1 5.970 0.000 . 1 . . . A 3 A H1' . 18336 1 20 . 1 1 3 3 A H2 H 1 7.827 0.000 . 1 . . . A 3 A H2 . 18336 1 21 . 1 1 3 3 A H2' H 1 4.580 0.000 . 1 . . . A 3 A H2' . 18336 1 22 . 1 1 3 3 A H3' H 1 4.630 0.000 . 1 . . . A 3 A H3' . 18336 1 23 . 1 1 3 3 A H4' H 1 4.500 0.000 . 1 . . . A 3 A H4' . 18336 1 24 . 1 1 3 3 A H5' H 1 4.520 0.000 . 1 . . . A 3 A H5' . 18336 1 25 . 1 1 3 3 A H8 H 1 7.891 0.000 . 1 . . . A 3 A H8 . 18336 1 26 . 1 1 3 3 A C1' C 13 93.177 0.000 . 1 . . . A 3 A C1' . 18336 1 27 . 1 1 3 3 A C2 C 13 154.680 0.000 . 1 . . . A 3 A C2 . 18336 1 28 . 1 1 3 3 A C8 C 13 139.883 0.000 . 1 . . . A 3 A C8 . 18336 1 29 . 1 1 4 4 C H1' H 1 5.340 0.000 . 1 . . . A 4 C H1' . 18336 1 30 . 1 1 4 4 C H2' H 1 4.187 0.000 . 1 . . . A 4 C H2' . 18336 1 31 . 1 1 4 4 C H3' H 1 4.327 0.000 . 1 . . . A 4 C H3' . 18336 1 32 . 1 1 4 4 C H4' H 1 4.400 0.000 . 1 . . . A 4 C H4' . 18336 1 33 . 1 1 4 4 C H5 H 1 5.250 0.000 . 1 . . . A 4 C H5 . 18336 1 34 . 1 1 4 4 C H5' H 1 7.170 0.000 . 1 . . . A 4 C H5' . 18336 1 35 . 1 1 4 4 C H6 H 1 7.470 0.000 . 1 . . . A 4 C H6 . 18336 1 36 . 1 1 4 4 C H41 H 1 8.280 0.000 . 1 . . . A 4 C H41 . 18336 1 37 . 1 1 4 4 C H42 H 1 7.050 0.000 . 1 . . . A 4 C H42 . 18336 1 38 . 1 1 4 4 C C1' C 13 91.419 0.000 . 1 . . . A 4 C C1' . 18336 1 39 . 1 1 4 4 C C5 C 13 94.530 0.000 . 1 . . . A 4 C C5 . 18336 1 40 . 1 1 4 4 C C6 C 13 138.599 0.000 . 1 . . . A 4 C C6 . 18336 1 41 . 1 1 5 5 U H1' H 1 5.782 0.000 . 1 . . . A 5 U H1' . 18336 1 42 . 1 1 5 5 U H2' H 1 4.332 0.000 . 1 . . . A 5 U H2' . 18336 1 43 . 1 1 5 5 U H3 H 1 14.175 0.000 . 1 . . . A 5 U H3 . 18336 1 44 . 1 1 5 5 U H3' H 1 7.826 0.000 . 1 . . . A 5 U H3' . 18336 1 45 . 1 1 5 5 U H4' H 1 4.592 0.000 . 1 . . . A 5 U H4' . 18336 1 46 . 1 1 5 5 U H5 H 1 5.393 0.000 . 1 . . . A 5 U H5 . 18336 1 47 . 1 1 5 5 U H5' H 1 4.582 0.000 . 1 . . . A 5 U H5' . 18336 1 48 . 1 1 5 5 U H6 H 1 7.826 0.000 . 1 . . . A 5 U H6 . 18336 1 49 . 1 1 5 5 U C5 C 13 103.746 0.000 . 1 . . . A 5 U C5 . 18336 1 50 . 1 1 5 5 U C6 C 13 142.071 0.000 . 1 . . . A 5 U C6 . 18336 1 51 . 1 1 5 5 U N1 N 15 190.487 0.000 . 1 . . . A 5 U N1 . 18336 1 52 . 1 1 6 6 U H1' H 1 5.832 0.000 . 1 . . . A 6 U H1' . 18336 1 53 . 1 1 6 6 U H2' H 1 4.462 0.000 . 1 . . . A 6 U H2' . 18336 1 54 . 1 1 6 6 U H3 H 1 13.300 0.000 . 1 . . . A 6 U H3 . 18336 1 55 . 1 1 6 6 U H3' H 1 4.561 0.000 . 1 . . . A 6 U H3' . 18336 1 56 . 1 1 6 6 U H4' H 1 4.462 0.000 . 1 . . . A 6 U H4' . 18336 1 57 . 1 1 6 6 U H5 H 1 5.684 0.000 . 1 . . . A 6 U H5 . 18336 1 58 . 1 1 6 6 U H5' H 1 4.449 0.000 . 1 . . . A 6 U H5' . 18336 1 59 . 1 1 6 6 U H6 H 1 7.829 0.000 . 1 . . . A 6 U H6 . 18336 1 60 . 1 1 6 6 U C1' C 13 92.299 0.000 . 1 . . . A 6 U C1' . 18336 1 61 . 1 1 6 6 U C5 C 13 104.155 0.000 . 1 . . . A 6 U C5 . 18336 1 62 . 1 1 6 6 U C6 C 13 142.755 0.000 . 1 . . . A 6 U C6 . 18336 1 63 . 1 1 6 6 U N1 N 15 190.863 0.000 . 1 . . . A 6 U N1 . 18336 1 64 . 1 1 7 7 C H1' H 1 5.853 0.000 . 1 . . . A 7 C H1' . 18336 1 65 . 1 1 7 7 C H2' H 1 4.301 0.000 . 1 . . . A 7 C H2' . 18336 1 66 . 1 1 7 7 C H3' H 1 4.422 0.000 . 1 . . . A 7 C H3' . 18336 1 67 . 1 1 7 7 C H4' H 1 4.422 0.000 . 1 . . . A 7 C H4' . 18336 1 68 . 1 1 7 7 C H5 H 1 6.002 0.000 . 1 . . . A 7 C H5 . 18336 1 69 . 1 1 7 7 C H5' H 1 4.498 0.000 . 1 . . . A 7 C H5' . 18336 1 70 . 1 1 7 7 C H6 H 1 7.907 0.000 . 1 . . . A 7 C H6 . 18336 1 71 . 1 1 7 7 C C1' C 13 90.057 0.000 . 1 . . . A 7 C C1' . 18336 1 72 . 1 1 7 7 C C5 C 13 96.044 0.000 . 1 . . . A 7 C C5 . 18336 1 73 . 1 1 7 7 C C6 C 13 139.612 0.000 . 1 . . . A 7 C C6 . 18336 1 74 . 1 1 8 8 C H1' H 1 5.814 0.000 . 1 . . . A 8 C H1' . 18336 1 75 . 1 1 8 8 C H2' H 1 4.422 0.000 . 1 . . . A 8 C H2' . 18336 1 76 . 1 1 8 8 C H3' H 1 4.682 0.000 . 1 . . . A 8 C H3' . 18336 1 77 . 1 1 8 8 C H4' H 1 4.431 0.000 . 1 . . . A 8 C H4' . 18336 1 78 . 1 1 8 8 C H5 H 1 5.832 0.000 . 1 . . . A 8 C H5 . 18336 1 79 . 1 1 8 8 C H5' H 1 4.391 0.000 . 1 . . . A 8 C H5' . 18336 1 80 . 1 1 8 8 C H6 H 1 7.898 0.000 . 1 . . . A 8 C H6 . 18336 1 81 . 1 1 8 8 C C1' C 13 90.342 0.000 . 1 . . . A 8 C C1' . 18336 1 82 . 1 1 8 8 C C5 C 13 95.498 0.000 . 1 . . . A 8 C C5 . 18336 1 83 . 1 1 8 8 C C6 C 13 140.743 0.000 . 1 . . . A 8 C C6 . 18336 1 84 . 1 1 9 9 A H1' H 1 6.109 0.000 . 1 . . . A 9 A H1' . 18336 1 85 . 1 1 9 9 A H2 H 1 8.097 0.000 . 1 . . . A 9 A H2 . 18336 1 86 . 1 1 9 9 A H2' H 1 4.690 0.000 . 1 . . . A 9 A H2' . 18336 1 87 . 1 1 9 9 A H3' H 1 4.749 0.000 . 1 . . . A 9 A H3' . 18336 1 88 . 1 1 9 9 A H4' H 1 4.561 0.000 . 1 . . . A 9 A H4' . 18336 1 89 . 1 1 9 9 A H5' H 1 4.480 0.000 . 1 . . . A 9 A H5' . 18336 1 90 . 1 1 9 9 A H8 H 1 8.341 0.000 . 1 . . . A 9 A H8 . 18336 1 91 . 1 1 9 9 A C1' C 13 92.167 0.000 . 1 . . . A 9 A C1' . 18336 1 92 . 1 1 9 9 A C2 C 13 155.277 0.000 . 1 . . . A 9 A C2 . 18336 1 93 . 1 1 9 9 A C8 C 13 141.629 0.000 . 1 . . . A 9 A C8 . 18336 1 94 . 1 1 10 10 U H1' H 1 5.539 0.000 . 1 . . . A 10 U H1' . 18336 1 95 . 1 1 10 10 U H2' H 1 4.339 0.000 . 1 . . . A 10 U H2' . 18336 1 96 . 1 1 10 10 U H3' H 1 4.539 0.000 . 1 . . . A 10 U H3' . 18336 1 97 . 1 1 10 10 U H4' H 1 4.481 0.000 . 1 . . . A 10 U H4' . 18336 1 98 . 1 1 10 10 U H5 H 1 5.499 0.000 . 1 . . . A 10 U H5 . 18336 1 99 . 1 1 10 10 U H5' H 1 4.469 0.000 . 1 . . . A 10 U H5' . 18336 1 100 . 1 1 10 10 U H6 H 1 7.696 0.000 . 1 . . . A 10 U H6 . 18336 1 101 . 1 1 10 10 U C1' C 13 93.191 0.000 . 1 . . . A 10 U C1' . 18336 1 102 . 1 1 10 10 U C5 C 13 103.746 0.000 . 1 . . . A 10 U C5 . 18336 1 103 . 1 1 10 10 U C6 C 13 141.787 0.000 . 1 . . . A 10 U C6 . 18336 1 104 . 1 1 10 10 U N1 N 15 190.838 0.000 . 1 . . . A 10 U N1 . 18336 1 105 . 1 1 11 11 U H1' H 1 5.710 0.000 . 1 . . . A 11 U H1' . 18336 1 106 . 1 1 11 11 U H2' H 1 4.560 0.000 . 1 . . . A 11 U H2' . 18336 1 107 . 1 1 11 11 U H3 H 1 13.202 0.000 . 1 . . . A 11 U H3 . 18336 1 108 . 1 1 11 11 U H3' H 1 4.631 0.000 . 1 . . . A 11 U H3' . 18336 1 109 . 1 1 11 11 U H4' H 1 4.498 0.000 . 1 . . . A 11 U H4' . 18336 1 110 . 1 1 11 11 U H5 H 1 5.622 0.000 . 1 . . . A 11 U H5 . 18336 1 111 . 1 1 11 11 U H5' H 1 4.481 0.000 . 1 . . . A 11 U H5' . 18336 1 112 . 1 1 11 11 U H6 H 1 7.897 0.000 . 1 . . . A 11 U H6 . 18336 1 113 . 1 1 11 11 U C1' C 13 92.862 0.000 . 1 . . . A 11 U C1' . 18336 1 114 . 1 1 11 11 U C5 C 13 103.659 0.000 . 1 . . . A 11 U C5 . 18336 1 115 . 1 1 11 11 U C6 C 13 142.348 0.000 . 1 . . . A 11 U C6 . 18336 1 116 . 1 1 11 11 U N1 N 15 190.712 0.000 . 1 . . . A 11 U N1 . 18336 1 117 . 1 1 11 11 U N3 N 15 162.5 0.000 . 1 . . . A 11 U N3 . 18336 1 118 . 1 1 12 12 G H1 H 1 12.430 0.000 . 1 . . . A 12 G H1 . 18336 1 119 . 1 1 12 12 G H1' H 1 5.839 0.000 . 1 . . . A 12 G H1' . 18336 1 120 . 1 1 12 12 G H2' H 1 4.510 0.000 . 1 . . . A 12 G H2' . 18336 1 121 . 1 1 12 12 G H3' H 1 4.560 0.000 . 1 . . . A 12 G H3' . 18336 1 122 . 1 1 12 12 G H4' H 1 4.510 0.000 . 1 . . . A 12 G H4' . 18336 1 123 . 1 1 12 12 G H5' H 1 4.602 0.000 . 1 . . . A 12 G H5' . 18336 1 124 . 1 1 12 12 G H8 H 1 7.833 0.000 . 1 . . . A 12 G H8 . 18336 1 125 . 1 1 12 12 G C1' C 13 92.410 0.000 . 1 . . . A 12 G C1' . 18336 1 126 . 1 1 12 12 G C8 C 13 136.430 0.000 . 1 . . . A 12 G C8 . 18336 1 127 . 1 1 13 13 C H1' H 1 5.422 0.000 . 1 . . . A 13 C H1' . 18336 1 128 . 1 1 13 13 C H2' H 1 4.410 0.000 . 1 . . . A 13 C H2' . 18336 1 129 . 1 1 13 13 C H3' H 1 4.210 0.000 . 1 . . . A 13 C H3' . 18336 1 130 . 1 1 13 13 C H4' H 1 4.410 0.000 . 1 . . . A 13 C H4' . 18336 1 131 . 1 1 13 13 C H5 H 1 5.160 0.000 . 1 . . . A 13 C H5 . 18336 1 132 . 1 1 13 13 C H5' H 1 4.502 0.000 . 1 . . . A 13 C H5' . 18336 1 133 . 1 1 13 13 C H6 H 1 7.447 0.000 . 1 . . . A 13 C H6 . 18336 1 134 . 1 1 13 13 C H41 H 1 8.450 0.000 . 1 . . . A 13 C H41 . 18336 1 135 . 1 1 13 13 C H42 H 1 6.790 0.000 . 1 . . . A 13 C H42 . 18336 1 136 . 1 1 13 13 C C1' C 13 91.103 0.000 . 1 . . . A 13 C C1' . 18336 1 137 . 1 1 13 13 C C5 C 13 94.590 0.000 . 1 . . . A 13 C C5 . 18336 1 138 . 1 1 13 13 C C6 C 13 138.413 0.000 . 1 . . . A 13 C C6 . 18336 1 139 . 1 1 14 14 U H1' H 1 5.609 0.000 . 1 . . . A 14 U H1' . 18336 1 140 . 1 1 14 14 U H2' H 1 3.752 0.000 . 1 . . . A 14 U H2' . 18336 1 141 . 1 1 14 14 U H3' H 1 4.512 0.000 . 1 . . . A 14 U H3' . 18336 1 142 . 1 1 14 14 U H4' H 1 4.340 0.000 . 1 . . . A 14 U H4' . 18336 1 143 . 1 1 14 14 U H5 H 1 5.689 0.000 . 1 . . . A 14 U H5 . 18336 1 144 . 1 1 14 14 U H5' H 1 4.459 0.000 . 1 . . . A 14 U H5' . 18336 1 145 . 1 1 14 14 U H6 H 1 7.708 0.000 . 1 . . . A 14 U H6 . 18336 1 146 . 1 1 14 14 U C1' C 13 93.308 0.000 . 1 . . . A 14 U C1' . 18336 1 147 . 1 1 14 14 U C5 C 13 104.731 0.000 . 1 . . . A 14 U C5 . 18336 1 148 . 1 1 14 14 U C6 C 13 140.728 0.000 . 1 . . . A 14 U C6 . 18336 1 149 . 1 1 14 14 U N1 N 15 191.977 0.000 . 1 . . . A 14 U N1 . 18336 1 150 . 1 1 15 15 U H1' H 1 6.082 0.000 . 1 . . . A 15 U H1' . 18336 1 151 . 1 1 15 15 U H2' H 1 4.640 0.000 . 1 . . . A 15 U H2' . 18336 1 152 . 1 1 15 15 U H3 H 1 12.243 0.000 . 1 . . . A 15 U H3 . 18336 1 153 . 1 1 15 15 U H3' H 1 4.011 0.000 . 1 . . . A 15 U H3' . 18336 1 154 . 1 1 15 15 U H4' H 1 4.459 0.000 . 1 . . . A 15 U H4' . 18336 1 155 . 1 1 15 15 U H5 H 1 5.840 0.000 . 1 . . . A 15 U H5 . 18336 1 156 . 1 1 15 15 U H5' H 1 4.221 0.000 . 1 . . . A 15 U H5' . 18336 1 157 . 1 1 15 15 U H6 H 1 7.998 0.000 . 1 . . . A 15 U H6 . 18336 1 158 . 1 1 15 15 U C1' C 13 89.122 0.000 . 1 . . . A 15 U C1' . 18336 1 159 . 1 1 15 15 U C5 C 13 105.191 0.000 . 1 . . . A 15 U C5 . 18336 1 160 . 1 1 15 15 U C6 C 13 144.483 0.000 . 1 . . . A 15 U C6 . 18336 1 161 . 1 1 15 15 U N1 N 15 188.771 0.000 . 1 . . . A 15 U N1 . 18336 1 162 . 1 1 16 16 C H1' H 1 5.942 0.000 . 1 . . . A 16 C H1' . 18336 1 163 . 1 1 16 16 C H2' H 1 4.081 0.000 . 1 . . . A 16 C H2' . 18336 1 164 . 1 1 16 16 C H3' H 1 4.471 0.000 . 1 . . . A 16 C H3' . 18336 1 165 . 1 1 16 16 C H4' H 1 3.789 0.000 . 1 . . . A 16 C H4' . 18336 1 166 . 1 1 16 16 C H5 H 1 6.111 0.000 . 1 . . . A 16 C H5 . 18336 1 167 . 1 1 16 16 C H5' H 1 3.592 0.000 . 1 . . . A 16 C H5' . 18336 1 168 . 1 1 16 16 C H6 H 1 7.692 0.000 . 1 . . . A 16 C H6 . 18336 1 169 . 1 1 16 16 C H41 H 1 7.100 0.000 . 1 . . . A 16 C H41 . 18336 1 170 . 1 1 16 16 C H42 H 1 6.290 0.000 . 1 . . . A 16 C H42 . 18336 1 171 . 1 1 16 16 C C1' C 13 86.483 0.000 . 1 . . . A 16 C C1' . 18336 1 172 . 1 1 16 16 C C5 C 13 95.995 0.000 . 1 . . . A 16 C C5 . 18336 1 173 . 1 1 16 16 C C6 C 13 140.810 0.000 . 1 . . . A 16 C C6 . 18336 1 174 . 1 1 17 17 G H1 H 1 9.830 0.000 . 1 . . . A 17 G H1 . 18336 1 175 . 1 1 17 17 G H1' H 1 5.928 0.000 . 1 . . . A 17 G H1' . 18336 1 176 . 1 1 17 17 G H2' H 1 4.800 0.000 . 1 . . . A 17 G H2' . 18336 1 177 . 1 1 17 17 G H3' H 1 5.601 0.000 . 1 . . . A 17 G H3' . 18336 1 178 . 1 1 17 17 G H4' H 1 4.389 0.000 . 1 . . . A 17 G H4' . 18336 1 179 . 1 1 17 17 G H5' H 1 4.393 0.000 . 1 . . . A 17 G H5' . 18336 1 180 . 1 1 17 17 G H8 H 1 7.846 0.000 . 1 . . . A 17 G H8 . 18336 1 181 . 1 1 17 17 G C1' C 13 94.309 0.000 . 1 . . . A 17 G C1' . 18336 1 182 . 1 1 17 17 G C8 C 13 143.016 0.000 . 1 . . . A 17 G C8 . 18336 1 183 . 1 1 18 18 G H1 H 1 13.300 0.000 . 1 . . . A 18 G H1 . 18336 1 184 . 1 1 18 18 G H1' H 1 4.389 0.000 . 1 . . . A 18 G H1' . 18336 1 185 . 1 1 18 18 G H2' H 1 4.369 0.000 . 1 . . . A 18 G H2' . 18336 1 186 . 1 1 18 18 G H3' H 1 4.208 0.000 . 1 . . . A 18 G H3' . 18336 1 187 . 1 1 18 18 G H4' H 1 4.549 0.000 . 1 . . . A 18 G H4' . 18336 1 188 . 1 1 18 18 G H5' H 1 4.459 0.000 . 1 . . . A 18 G H5' . 18336 1 189 . 1 1 18 18 G H8 H 1 8.255 0.000 . 1 . . . A 18 G H8 . 18336 1 190 . 1 1 18 18 G H21 H 1 8.700 0.000 . 1 . . . A 18 G H21 . 18336 1 191 . 1 1 18 18 G H22 H 1 6.400 0.000 . 1 . . . A 18 G H22 . 18336 1 192 . 1 1 18 18 G C1' C 13 92.936 0.000 . 1 . . . A 18 G C1' . 18336 1 193 . 1 1 18 18 G C8 C 13 138.598 0.000 . 1 . . . A 18 G C8 . 18336 1 194 . 1 1 19 19 C H1' H 1 5.441 0.000 . 1 . . . A 19 C H1' . 18336 1 195 . 1 1 19 19 C H2' H 1 4.512 0.000 . 1 . . . A 19 C H2' . 18336 1 196 . 1 1 19 19 C H3' H 1 4.471 0.000 . 1 . . . A 19 C H3' . 18336 1 197 . 1 1 19 19 C H4' H 1 4.352 0.000 . 1 . . . A 19 C H4' . 18336 1 198 . 1 1 19 19 C H5 H 1 5.170 0.000 . 1 . . . A 19 C H5 . 18336 1 199 . 1 1 19 19 C H5' H 1 4.471 0.000 . 1 . . . A 19 C H5' . 18336 1 200 . 1 1 19 19 C H6 H 1 7.650 0.000 . 1 . . . A 19 C H6 . 18336 1 201 . 1 1 19 19 C H41 H 1 8.480 0.000 . 1 . . . A 19 C H41 . 18336 1 202 . 1 1 19 19 C H42 H 1 6.730 0.000 . 1 . . . A 19 C H42 . 18336 1 203 . 1 1 19 19 C C1' C 13 91.193 0.000 . 1 . . . A 19 C C1' . 18336 1 204 . 1 1 19 19 C C5 C 13 94.441 0.000 . 1 . . . A 19 C C5 . 18336 1 205 . 1 1 19 19 C C6 C 13 138.869 0.000 . 1 . . . A 19 C C6 . 18336 1 206 . 1 1 20 20 A H1' H 1 5.886 0.000 . 1 . . . A 20 A H1' . 18336 1 207 . 1 1 20 20 A H2 H 1 6.936 0.000 . 1 . . . A 20 A H2 . 18336 1 208 . 1 1 20 20 A H2' H 1 4.611 0.000 . 1 . . . A 20 A H2' . 18336 1 209 . 1 1 20 20 A H3' H 1 4.591 0.000 . 1 . . . A 20 A H3' . 18336 1 210 . 1 1 20 20 A H4' H 1 4.471 0.000 . 1 . . . A 20 A H4' . 18336 1 211 . 1 1 20 20 A H5' H 1 4.512 0.000 . 1 . . . A 20 A H5' . 18336 1 212 . 1 1 20 20 A H8 H 1 7.837 0.000 . 1 . . . A 20 A H8 . 18336 1 213 . 1 1 20 20 A C1' C 13 93.221 0.000 . 1 . . . A 20 A C1' . 18336 1 214 . 1 1 20 20 A C2 C 13 152.799 0.000 . 1 . . . A 20 A C2 . 18336 1 215 . 1 1 20 20 A C8 C 13 139.859 0.000 . 1 . . . A 20 A C8 . 18336 1 216 . 1 1 21 21 A H1' H 1 5.651 0.000 . 1 . . . A 21 A H1' . 18336 1 217 . 1 1 21 21 A H2 H 1 7.740 0.000 . 1 . . . A 21 A H2 . 18336 1 218 . 1 1 21 21 A H2' H 1 4.591 0.000 . 1 . . . A 21 A H2' . 18336 1 219 . 1 1 21 21 A H3' H 1 4.471 0.000 . 1 . . . A 21 A H3' . 18336 1 220 . 1 1 21 21 A H4' H 1 4.410 0.000 . 1 . . . A 21 A H4' . 18336 1 221 . 1 1 21 21 A H5' H 1 4.514 0.000 . 1 . . . A 21 A H5' . 18336 1 222 . 1 1 21 21 A H8 H 1 7.486 0.000 . 1 . . . A 21 A H8 . 18336 1 223 . 1 1 21 21 A C1' C 13 92.749 0.000 . 1 . . . A 21 A C1' . 18336 1 224 . 1 1 21 21 A C2 C 13 154.313 0.000 . 1 . . . A 21 A C2 . 18336 1 225 . 1 1 21 21 A C8 C 13 139.206 0.000 . 1 . . . A 21 A C8 . 18336 1 226 . 1 1 22 22 A H1' H 1 5.932 0.000 . 1 . . . A 22 A H1' . 18336 1 227 . 1 1 22 22 A H2 H 1 7.517 0.000 . 1 . . . A 22 A H2 . 18336 1 228 . 1 1 22 22 A H2' H 1 4.020 0.000 . 1 . . . A 22 A H2' . 18336 1 229 . 1 1 22 22 A H3' H 1 4.260 0.000 . 1 . . . A 22 A H3' . 18336 1 230 . 1 1 22 22 A H4' H 1 4.220 0.000 . 1 . . . A 22 A H4' . 18336 1 231 . 1 1 22 22 A H8 H 1 7.989 0.000 . 1 . . . A 22 A H8 . 18336 1 232 . 1 1 22 22 A C2 C 13 154.145 0.000 . 1 . . . A 22 A C2 . 18336 1 233 . 1 1 23 23 A H1' H 1 5.617 0.000 . 1 . . . A 23 A H1' . 18336 1 234 . 1 1 23 23 A H2 H 1 7.578 0.000 . 1 . . . A 23 A H2 . 18336 1 235 . 1 1 23 23 A H2' H 1 4.552 0.000 . 1 . . . A 23 A H2' . 18336 1 236 . 1 1 23 23 A H3' H 1 4.572 0.000 . 1 . . . A 23 A H3' . 18336 1 237 . 1 1 23 23 A H4' H 1 4.060 0.000 . 1 . . . A 23 A H4' . 18336 1 238 . 1 1 23 23 A H5' H 1 4.421 0.000 . 1 . . . A 23 A H5' . 18336 1 239 . 1 1 23 23 A H8 H 1 7.832 0.000 . 1 . . . A 23 A H8 . 18336 1 240 . 1 1 23 23 A C1' C 13 93.225 0.000 . 1 . . . A 23 A C1' . 18336 1 241 . 1 1 23 23 A C2 C 13 153.824 0.000 . 1 . . . A 23 A C2 . 18336 1 242 . 1 1 23 23 A C8 C 13 139.705 0.000 . 1 . . . A 23 A C8 . 18336 1 243 . 1 1 24 24 G H1 H 1 13.520 0.000 . 1 . . . A 24 G H1 . 18336 1 244 . 1 1 24 24 G H1' H 1 5.529 0.000 . 1 . . . A 24 G H1' . 18336 1 245 . 1 1 24 24 G H2' H 1 4.320 0.000 . 1 . . . A 24 G H2' . 18336 1 246 . 1 1 24 24 G H3' H 1 4.390 0.000 . 1 . . . A 24 G H3' . 18336 1 247 . 1 1 24 24 G H4' H 1 4.339 0.000 . 1 . . . A 24 G H4' . 18336 1 248 . 1 1 24 24 G H5' H 1 4.489 0.000 . 1 . . . A 24 G H5' . 18336 1 249 . 1 1 24 24 G H8 H 1 7.202 0.000 . 1 . . . A 24 G H8 . 18336 1 250 . 1 1 24 24 G H21 H 1 8.670 0.000 . 1 . . . A 24 G H21 . 18336 1 251 . 1 1 24 24 G C1' C 13 92.527 0.000 . 1 . . . A 24 G C1' . 18336 1 252 . 1 1 24 24 G C8 C 13 135.587 0.000 . 1 . . . A 24 G C8 . 18336 1 253 . 1 1 25 25 U H1' H 1 5.631 0.000 . 1 . . . A 25 U H1' . 18336 1 254 . 1 1 25 25 U H2' H 1 4.419 0.000 . 1 . . . A 25 U H2' . 18336 1 255 . 1 1 25 25 U H3 H 1 14.340 0.000 . 1 . . . A 25 U H3 . 18336 1 256 . 1 1 25 25 U H3' H 1 4.481 0.000 . 1 . . . A 25 U H3' . 18336 1 257 . 1 1 25 25 U H4' H 1 4.419 0.000 . 1 . . . A 25 U H4' . 18336 1 258 . 1 1 25 25 U H5 H 1 4.980 0.000 . 1 . . . A 25 U H5 . 18336 1 259 . 1 1 25 25 U H5' H 1 4.449 0.000 . 1 . . . A 25 U H5' . 18336 1 260 . 1 1 25 25 U H6 H 1 7.840 0.000 . 1 . . . A 25 U H6 . 18336 1 261 . 1 1 25 25 U C1' C 13 94.387 0.000 . 1 . . . A 25 U C1' . 18336 1 262 . 1 1 25 25 U C6 C 13 141.640 0.000 . 1 . . . A 25 U C6 . 18336 1 263 . 1 1 25 25 U N1 N 15 192.140 0.000 . 1 . . . A 25 U N1 . 18336 1 264 . 1 1 25 25 U N3 N 15 163.3 0.000 . 1 . . . A 25 U N3 . 18336 1 265 . 1 1 26 26 C H1' H 1 5.639 0.000 . 1 . . . A 26 C H1' . 18336 1 266 . 1 1 26 26 C H2' H 1 3.891 0.000 . 1 . . . A 26 C H2' . 18336 1 267 . 1 1 26 26 C H3' H 1 4.111 0.000 . 1 . . . A 26 C H3' . 18336 1 268 . 1 1 26 26 C H4' H 1 4.411 0.000 . 1 . . . A 26 C H4' . 18336 1 269 . 1 1 26 26 C H5 H 1 5.601 0.000 . 1 . . . A 26 C H5 . 18336 1 270 . 1 1 26 26 C H5' H 1 4.342 0.000 . 1 . . . A 26 C H5' . 18336 1 271 . 1 1 26 26 C H6 H 1 7.701 0.000 . 1 . . . A 26 C H6 . 18336 1 272 . 1 1 26 26 C H41 H 1 8.500 0.000 . 1 . . . A 26 C H41 . 18336 1 273 . 1 1 26 26 C H42 H 1 6.950 0.000 . 1 . . . A 26 C H42 . 18336 1 274 . 1 1 26 26 C C1' C 13 90.113 0.000 . 1 . . . A 26 C C1' . 18336 1 275 . 1 1 26 26 C C5 C 13 94.952 0.000 . 1 . . . A 26 C C5 . 18336 1 276 . 1 1 26 26 C C6 C 13 139.932 0.000 . 1 . . . A 26 C C6 . 18336 1 277 . 1 1 27 27 C H1' H 1 5.491 0.000 . 1 . . . A 27 C H1' . 18336 1 278 . 1 1 27 27 C H2' H 1 4.280 0.000 . 1 . . . A 27 C H2' . 18336 1 279 . 1 1 27 27 C H3' H 1 4.342 0.000 . 1 . . . A 27 C H3' . 18336 1 280 . 1 1 27 27 C H4' H 1 4.342 0.000 . 1 . . . A 27 C H4' . 18336 1 281 . 1 1 27 27 C H5 H 1 5.462 0.000 . 1 . . . A 27 C H5 . 18336 1 282 . 1 1 27 27 C H5' H 1 4.420 0.000 . 1 . . . A 27 C H5' . 18336 1 283 . 1 1 27 27 C H6 H 1 7.658 0.000 . 1 . . . A 27 C H6 . 18336 1 284 . 1 1 27 27 C H41 H 1 8.400 0.000 . 1 . . . A 27 C H41 . 18336 1 285 . 1 1 27 27 C H42 H 1 6.970 0.000 . 1 . . . A 27 C H42 . 18336 1 286 . 1 1 27 27 C C1' C 13 91.126 0.000 . 1 . . . A 27 C C1' . 18336 1 287 . 1 1 27 27 C C6 C 13 138.565 0.000 . 1 . . . A 27 C C6 . 18336 1 stop_ save_